Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bda3dc64ac5cf203eeba37ab46db2d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.106,
"b": 111.897,
"c": 124.795,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95530],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.050,2.670],
"number_observations": 167278,
"number_observations_unique": 30950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.670],
"number_observations": 17492,
"number_observations_unique": 3554,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.188
},
{
"type": "R(meas)",
"value": 1.338
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [39.050,8.870],
"number_observations": 4903,
"number_observations_unique": 961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}